Package qsardes.cdk

# Class CdkTools

java.lang.Object
qsardes.cdk.CdkTools

public final class CdkTools extends Object
This class provides tools to get and organize data from CDK descriptor classes.

- ## Constructor Summary

  Constructors
  Constructor
  Description
  `CdkTools()`
  Constructs the CDK tools class.

- ## Method Summary

  Modifier and Type
  Method
  Description
  `List<String>`
  `get_descriptor_names(org.openscience.cdk.qsar.IMolecularDescriptor descr)`
  Gets CDK descriptor names.
  `List<String>`
  `get_descriptor_names(org.openscience.cdk.qsar.IMolecularDescriptor descr, Object[] params)`
  Gets CDK descriptor names.
  `Map<String,String>`
  `get_empty_map(org.openscience.cdk.qsar.IMolecularDescriptor descr)`
  Gets CDK descriptor empty map.

  ### Methods inherited from class java.lang.Object

  `clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait`

- ## Constructor Details

  - ### CdkTools

    public CdkTools()
    Constructs the CDK tools class.

- ## Method Details

  - ### get_empty_map

    public Map<String,String> get_empty_map(org.openscience.cdk.qsar.IMolecularDescriptor descr)
    Gets CDK descriptor empty map.
    Parameters:
      `descr` - CDK descriptor class.
    Returns:
      Descriptor no-values mapped as name:NaN.

  - ### get_descriptor_names

    public List<String> get_descriptor_names(org.openscience.cdk.qsar.IMolecularDescriptor descr)
    Gets CDK descriptor names.
    Parameters:
      `descr` - CDK descriptor class.
    Returns:
      Descriptor names.

  - ### get_descriptor_names

    public List<String> get_descriptor_names(org.openscience.cdk.qsar.IMolecularDescriptor descr, Object[] params)
    Gets CDK descriptor names.
    Parameters:
      `descr` - CDK descriptor class.
      `params` - CDK descriptor parameters.
    Returns:
      Descriptor names.